| SpectraBase Compound ID | 8sNsIHKUFtE |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10(2)7-8-16-13(14)11-5-4-6-12(9-11)15-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | WKINRCWZWLOOIQ-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hn9cnOqDpB7 |
|---|---|
| Name | m-Anisic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-10(2)7-8-16-13(14)11-5-4-6-12(9-11)15-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | WKINRCWZWLOOIQ-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(=O)(OCC=C(C)C)C=1C=C(OC)C=CC1 |